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Keyword category:

Transition State Location: CHN Methods

OPTILR

OPTILR — Optimize both the left (reactant) and right (product) starting geometries.

Usage

OPTILR

Description

OPTILR causes both the left (reactant) and right (product) starting geometries to be optimized prior to building the initial chain in a CHAIN/CHN calculation.

Abbreviation:

none

Requires:

CHN, CHECKCHN, FULLCHN, or CHAIN.

Required by:

none

Default value:

none

See also:

OPTIL, OPTIR.
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OPTIL  Home  OPTIR

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